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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on the storage and integration of epigenetic drug datasets that were obtained from laboratory experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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UNC0638

Category:HMTi
Cas Number:1255580-76-7
Molecular Formula:C30H47N5O2
Molecular Weight:509.72648 g/mol
Smiles:CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5
Description:UNC0638 is a potent and selective inhibitor of G9a and GLP with IC50 values of < 15 nM and 19 ± 1 nM, respectively .GLP forms a heterodimer with G9a. Both G9a and GLP can mono- and dimethylate histone H3 Lys9 (H3K9), and dimethylate Lys373 of p53 and hence inactivate the transcriptional activity of p53 .UNC0638 showed balanced physicochemical properties and potency aiding cell penetration in vitro, had high potency in cellular assays. It was much less toxic than BIX01294 to cells. In MDA-MB-231 cells, in a concentration-dependent manner, exposure to UNC0638 for 48 h reduced H3K9me2 levels with an IC50 value of 81 ± 9 nM (n= 3), which showed considerably higher potency than BIX01294 (IC50= 500 ± 43 nM (n= 3)). In reducing H3K9me2 levels, UNC0638 was of greater maximum effect than BIX01294. This effect is close, but not equal, to the effect on the double knockdown of G9a and GLP via shRNA .In 6-week-old male athymic nude mice subcutaneously inoculated with BON cells, UNC0638 decreased H3K9me2 level. In organotypic cochlear cultures, rapid increase of H3K9me2 upon the damage of hair cells was observed. Both ex vivo and in vivo, UNC0638 effectively prevented aminoglycosides-induced hair cell damage .
synonyms:
Structure:
3D Conformer:3D View
Downlaod:Structure File Download (10.0KB)

Target list

IdDrug NameTargetPubmedIdCo-crystal Complex
1213 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)
1214 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1215 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1216 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1217 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1218 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1219 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)24102134
1220 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1221 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)
1222 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)
1223 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (Homo sapiens)(G9a)
1224 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790
1225 UNC0638Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (Homo sapiens)(G9a)21780790

Disease list

ConditionsDrug NameStatusNct NumberPhases
healthyUNC0638Preclinical study
healthyUNC0638Preclinical study
healthyUNC0638Preclinical study
healthyUNC0638Preclinical study

High-throughoutput Dataset

TitleDrug NameCategorySample typePMID
HEK293T cells treated with a G9a small molecule inhibitor (UNC0638) or vehicle (DMSO), WIZ siRNA, G9a siRNA, or scrambled (control) siRNA UNC0638HMTihuman HEK293T cells26338712
G9a/GLP-dependent H3K9me2 patterning alters chromatin structure at CpG islands in hematopoietic progenitors. UNC0638HMTihematopoietic progenitors(HSPCs)25237399
EHMT1 and EHMT2 inhibition induce fetal hemoglobin expression [ChIP-seq] UNC0638HMTiadult hematopoietic cells26320100
A role for Widely Interspaced Zinc finger (WIZ) in retention of the G9a methyltransferase on chromatin UNC0638HMTiHEK293T cells26338712

Complex list

PDBIdDrug NameTargetmethodPubmedId
3RJW UNC0638Histone-lysine N-methyltransferase EHMT2 (Homo sapiens)X-RAY DIFFRACTION21743462

About

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The Human Epigenetic Drug Database (HEDD) is a comprehensive web-based database for epigenetic drugs, which focuses on integrating epigenetic drug studies based Omics data from high through experiments that is essential for understanding the mechanism of action of these epigenetic drugs at a systematic level.

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©2016 Group of Computational Epigenomics and Bioinformatics, College of Life Science, Jilin Normal University, China

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